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Substance Name: 3-Methyl-1-nitrobutane
RN: 627-67-8
UNII: 2044IXU3WI
InChIKey: FEJLPMVSVDSKHJ-UHFFFAOYSA-N

Molecular Formula

  • C5-H11-N-O2

Molecular Weight

  • 117.147
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-1-nitrobutane

Synonyms

  • EINECS 211-008-0
  • UNII-2044IXU3WI

Systematic Name

  • 3-Methyl-1-nitrobutane

Registry Numbers

CAS Registry Number

  • 627-67-8

FDA UNII

  • 2044IXU3WI

System Generated Number

  • 0000627678

Structure Descriptors

InChI

1S/C5H11NO2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3

InChIKey

FEJLPMVSVDSKHJ-UHFFFAOYSA-N

Smiles

[N+]([O-])(=O)CCC(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 97 deg C   EXP
Boiling Point 163.5 deg C   EXP
log P (octanol-water) 1.850 (none)   EST
Atmospheric OH Rate Constant 3.01E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.